Compound ID | 2487

Update compound information

Malacidin A

Class: Lipopeptide

Spectrum of activity: Gram-positive
Details of activity: Active against methicillin-resistant and -susceptible Staphylococcus aureus, Enterococcus faecium, Streptococcus mutans, Streptococcus pneumoniae, and Lactobacillus rhamnosus; inhibits cell wall synthesis
Description: Natural product from soil metagenome with identified BGC expressed in Streptomyces albus as host; no toxicity or haemolytic activity at >100 MIC
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1249.37
Iso. SMILES: C[C@H]1[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CC(C[C@H]2C(=O)N1)C)C(C)C)[C@@H](C)C(=O)O)CC(=O)O)[C@H](C(=O)O)O)CCCCN)C(C)C)NC(=O)[C@H]([C@H](C)C(=O)O)NC(=O)/C=C/C=C\CCC(C)C
InChI Key: USNOUEMKNKRWQT-NRAWYNGHSA-N
Can. SMILES: CC(C)CC/C=C\C=C\C(=O)N[C@@H]([C@H](C)C(=O)O)C(=O)N[C@H]1[C@H](C)NC(=O)[C@@H]2CC(C)CN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@H](C(=O)O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C(C)C)NC1=O
InChI: InChI=1S/C56H88N12O20/c1-25(2)17-13-11-12-14-19-35(69)62-40(29(8)54(83)84)50(79)66-42-31(10)59-47(76)34-21-28(7)24-68(34)53(82)39(27(5)6)65-49(78)41(30(9)55(85)86)63-36(70)23-58-45(74)33(22-37(71)72)61-52(81)43(44(73)56(87)88)67-46(75)32(18-15-16-20-57)60-48(77)38(26(3)4)64-51(42)80/h11-12,14,19,25-34,38-44,73H,13,15-18,20-24,57H2,1-10H3,(H,58,74)(H,59,76)(H,60,77)(H,61,81)(H,62,69)(H,63,70)(H,64,80)(H,65,78)(H,66,79)(H,67,75)(H,71,72)(H,83,84)(H,85,86)(H,87,88)/b12-11-,19-14+/t28?,29-,30+,31-,32-,33-,34-,38+,39-,40-,41+,42-,43-,44+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/132274667
Citation: https://www.nature.com/articles/s41564-018-0110-1

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